2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one

C13H9F3N2OS — CID 155937256

IUPAC2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one
SMILESCc1cc2c(s1)Nc1ccc(C(F)(F)F)cc1NC2=O
InChIInChI=1S/C13H9F3N2OS/c1-6-4-8-11(19)17-10-5-7(13(14,15)16)2-3-9(10)18-12(8)20-6/h2-5,18H,1H3,(H,17,19)
InChIKeyIFEMVGVNINPBPH-UHFFFAOYSA-N
MW298.29 g/mol
LogP4.38
Rot. Bonds

About 2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one

2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one (PubChem CID 155937256) has the molecular formula C13H9F3N2OS and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one
PubChem CID155937256
Molecular FormulaC13H9F3N2OS
Molecular Weight298.29 g/mol
Exact Mass298.04
IUPAC Name2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one
SMILESCc1cc2c(s1)Nc1ccc(C(F)(F)F)cc1NC2=O
InChIInChI=1S/C13H9F3N2OS/c1-6-4-8-11(19)17-10-5-7(13(14,15)16)2-3-9(10)18-12(8)20-6/h2-5,18H,1H3,(H,17,19)
InChIKeyIFEMVGVNINPBPH-UHFFFAOYSA-N
XLogP4.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one?
The IUPAC name of 2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one (CID 155937256) is 2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one is Cc1cc2c(s1)Nc1ccc(C(F)(F)F)cc1NC2=O.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one?
The InChIKey is IFEMVGVNINPBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2OS/c1-6-4-8-11(19)17-10-5-7(13(14,15)16)2-3-9(10)18-12(8)20-6/h2-5,18H,1H3,(H,17,19).
What are the key properties of 2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one?
2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one has a molecular weight of 298.29 g/mol, XLogP of 4.38, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)-5,10-dihydrothieno[3,2-c][1,5]benzodiazepin-4-one is sourced from PubChem (CID 155937256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).